SCHEMBL6047897

SCHEMBL6047897

COc1ccc(-c2cc(C)cc3c2OC(CN(C)N(C)CC2Cc4cc(C)cc(-c5ccc(F)cc5)c4O2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOB P27338 4/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
DRD2 P14416 1/20 0.34
MAPT P10636 2/20 0.34
SYK P43405 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5148557 0.86 DRD2 (0.38) NPC1RAB9AMAOBPRKAB2PRKAG1
SCHEMBL4222368 0.81 PRKAB2 (0.51) NPC1RAB9AMAOBPRKAB2PRKAG1
SCHEMBL6047906 0.79 AQP1 (0.37) MAPTALDH1A1PTGS1
SCHEMBL4226625 0.79 PRKAB2 (0.42) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226616 0.79 AQP1 (0.45) NPC1RAB9AMAOBPRKAB2PRKAG1
SCHEMBL4220445 0.78 AQP1 (0.50) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226581 0.76 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226574 0.76 AQP1 (0.55) MAOBPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596468 0.75 ALDH1A1 (0.42) NPC1RAB9AMAOBDRD2MAPT
SCHEMBL4220169 0.75 AQP1 (0.56) GSK3BMAOBPRKAB2PRKAG1PRKAA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed